5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile

C17H24N4O — CID 57106192

IUPAC5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile
SMILESCCCCCn1ncc(C#N)c1N=C1CCC(CC)C(=O)C1
InChIInChI=1S/C17H24N4O/c1-3-5-6-9-21-17(14(11-18)12-19-21)20-15-8-7-13(4-2)16(22)10-15/h12-13H,3-10H2,1-2H3
InChIKeyXBHMJNFEDVOWFG-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.80
Rot. Bonds6

About 5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile

5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile (PubChem CID 57106192) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile
PubChem CID57106192
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile
SMILESCCCCCn1ncc(C#N)c1N=C1CCC(CC)C(=O)C1
InChIInChI=1S/C17H24N4O/c1-3-5-6-9-21-17(14(11-18)12-19-21)20-15-8-7-13(4-2)16(22)10-15/h12-13H,3-10H2,1-2H3
InChIKeyXBHMJNFEDVOWFG-UHFFFAOYSA-N
XLogP3.80
TPSA71.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-oxo-4-propylcyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile
CID 57044560
5-[[4-(3-methylbut-2-enyl)-3-oxocyclohexylidene]amino]-1-pentylpyrazole-4-carbonitrile
CID 57298584
5-[(3-butyl-5-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile
CID 57000335
5-(cyclobutylamino)-2-nonylpyridazin-3-one
CID 103220396
2-ethylcyclobutan-1-one
CID 534566
1-octyl-2,4-dioxopyrimidine-5-carbonitrile
CID 115565221
1-pentyl-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003251
2-pentyl-5-(propan-2-ylamino)pyridazin-3-one
CID 103219492
5-(2,6-dioxopiperidin-1-yl)-1-methylpyrazole-4-carbonitrile
CID 79504435
4-chloro-5-hydroxy-2-pentylpyridazin-3-one
CID 54683702
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
N-(4-cyano-1-methylpyrazol-3-yl)octanamide
CID 112696255

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile (CID 57106192) is 5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile is CCCCCn1ncc(C#N)c1N=C1CCC(CC)C(=O)C1.
What is the InChIKey of 5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile?
The InChIKey is XBHMJNFEDVOWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-5-6-9-21-17(14(11-18)12-19-21)20-15-8-7-13(4-2)16(22)10-15/h12-13H,3-10H2,1-2H3.
What are the key properties of 5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile?
5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile has a molecular weight of 300.41 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-3-oxocyclohexylidene)amino]-1-pentylpyrazole-4-carbonitrile is sourced from PubChem (CID 57106192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).